Esculetin
Simulation outputs:
Parameter | Value | |
Field strength | 499.84(MHz) | |
RMSD of the fit | 0.01917 | |
Temperature | 298 K | |
pH | 7.4 | |
InChI | InChI=1S/C9H6O4/c10-6-3-5-1-2-9(12)13-8(5)4-7(6)11/h1-4,10-11H | |
Note 1 | None |
Sample description:
Compound | Type | Concentration |
---|---|---|
Esculetin | Solute | 100mM |
DMSO | Solvent | 100% |
TMS | Reference | 0.05mM |
Spin System Matrix
14 | 15 | 17 | 16 | |
---|---|---|---|---|
14 | 7.877 | 9.497 | 0 | 0.5 |
15 | 0 | 6.177 | 0 | 0 |
17 | 0 | 0 | 6.987 | 0.1 |
16 | 0 | 0 | 0 | 6.749 |
Spectra
Select field strength to view simulated spectra and peak lists (standard and GSD): Autoscale
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PPM | Amplitude | Peak Type |
---|---|---|
6.1672 | 0.510779 | standard |
6.18614 | 0.510779 | standard |
6.74864 | 0.690916 | standard |
6.74922 | 0.690916 | standard |
6.98727 | 1.0 | standard |
7.86722 | 0.348209 | standard |
7.86789 | 0.348257 | standard |
7.88626 | 0.348256 | standard |
7.88693 | 0.348209 | standard |
-0.951849 | 3.125e-06 | standard |
6.04976 | 0.439909 | standard |
6.28717 | 0.58085 | standard |
6.74507 | 0.690856 | standard |
6.7527 | 0.690587 | standard |
6.98732 | 1.00003 | standard |
7.76237 | 0.396032 | standard |
7.77089 | 0.395933 | standard |
7.99968 | 0.299032 | standard |
8.00839 | 0.299113 | standard |
-0.511264 | 1.125e-06 | standard |
6.0939 | 0.463772 | standard |
6.2522 | 0.558303 | standard |
6.74639 | 0.692178 | standard |
6.75142 | 0.691697 | standard |
6.98732 | 1.00006 | standard |
7.79869 | 0.379449 | standard |
7.80449 | 0.37943 | standard |
7.95699 | 0.315287 | standard |
7.96279 | 0.315295 | standard |
-0.81279 | 1.125e-06 | standard |
6.11533 | 0.476018 | standard |
6.23395 | 0.547105 | standard |
6.747 | 0.68934 | standard |
6.75086 | 0.68935 | standard |
6.98732 | 1.00012 | standard |
7.81762 | 0.371857 | standard |
7.82197 | 0.371869 | standard |
7.93639 | 0.325804 | standard |
7.94055 | 0.325786 | standard |
-0.959586 | 1.125e-06 | standard |
6.12227 | 0.479026 | standard |
6.2278 | 0.542121 | standard |
6.74723 | 0.687623 | standard |
6.75062 | 0.68763 | standard |
6.98732 | 1.00015 | standard |
7.82396 | 0.368475 | standard |
7.82783 | 0.368496 | standard |
7.92949 | 0.325672 | standard |
7.93336 | 0.325644 | standard |
6.12792 | 0.482306 | standard |
6.22284 | 0.539126 | standard |
6.74741 | 0.690901 | standard |
6.75045 | 0.690907 | standard |
6.98727 | 1.0 | standard |
7.82915 | 0.367667 | standard |
7.83255 | 0.367691 | standard |
7.92417 | 0.328995 | standard |
7.92757 | 0.328965 | standard |
6.15262 | 0.496907 | standard |
6.20013 | 0.52537 | standard |
6.74817 | 0.691359 | standard |
6.74968 | 0.69136 | standard |
6.98732 | 1.00072 | standard |
7.85277 | 0.358299 | standard |
7.85446 | 0.358341 | standard |
7.90028 | 0.338955 | standard |
7.90197 | 0.33891 | standard |
6.16075 | 0.509707 | standard |
6.19239 | 0.509708 | standard |
6.74838 | 0.684202 | standard |
6.74948 | 0.684202 | standard |
6.98732 | 1.00165 | standard |
7.86076 | 0.344815 | standard |
7.86195 | 0.344867 | standard |
7.8924 | 0.344867 | standard |
7.89359 | 0.344815 | standard |
6.16472 | 0.516659 | standard |
6.18853 | 0.51666 | standard |
6.74856 | 0.702358 | standard |
6.7493 | 0.695299 | standard |
6.98732 | 1.00273 | standard |
7.86476 | 0.346658 | standard |
7.86569 | 0.346713 | standard |
7.88861 | 0.358695 | standard |
7.88934 | 0.358651 | standard |
6.1672 | 0.510785 | standard |
6.18614 | 0.510785 | standard |
6.74864 | 0.690819 | standard |
6.74922 | 0.690819 | standard |
6.98727 | 1.0 | standard |
7.86722 | 0.348165 | standard |
7.86789 | 0.348213 | standard |
7.88626 | 0.348213 | standard |
7.88693 | 0.348165 | standard |
6.16879 | 0.507852 | standard |
6.18456 | 0.507852 | standard |
6.74876 | 0.699095 | standard |
6.7491 | 0.699095 | standard |
6.98732 | 1.00661 | standard |
7.86889 | 0.352098 | standard |
7.86939 | 0.35214 | standard |
7.88476 | 0.35214 | standard |
7.88525 | 0.352098 | standard |
6.16988 | 0.510386 | standard |
6.18347 | 0.510386 | standard |
6.74873 | 0.698379 | standard |
6.74913 | 0.698379 | standard |
6.98732 | 1.00871 | standard |
7.87006 | 0.351415 | standard |
7.8705 | 0.351459 | standard |
7.88365 | 0.351459 | standard |
7.88409 | 0.351415 | standard |
6.17037 | 0.511801 | standard |
6.18297 | 0.511801 | standard |
6.74869 | 0.678444 | standard |
6.74917 | 0.678444 | standard |
6.98732 | 1.00982 | standard |
7.87059 | 0.365049 | standard |
7.87087 | 0.36508 | standard |
7.88313 | 0.342143 | standard |
7.88362 | 0.342089 | standard |
6.17077 | 0.513296 | standard |
6.18257 | 0.513296 | standard |
6.7488 | 0.670887 | standard |
6.74916 | 0.686937 | standard |
6.98732 | 1.01098 | standard |
7.87095 | 0.356639 | standard |
7.87129 | 0.356679 | standard |
7.88285 | 0.356679 | standard |
7.8832 | 0.356639 | standard |
6.17137 | 0.516524 | standard |
6.18198 | 0.516524 | standard |
6.74887 | 0.735798 | standard |
6.74899 | 0.735798 | standard |
6.98732 | 1.01337 | standard |
7.87166 | 0.369879 | standard |
7.87188 | 0.369907 | standard |
7.88212 | 0.340828 | standard |
7.88254 | 0.340771 | standard |
6.17166 | 0.518277 | standard |
6.18168 | 0.518277 | standard |
6.74884 | 0.717367 | standard |
6.74902 | 0.717367 | standard |
6.98732 | 1.01461 | standard |
7.87194 | 0.36169 | standard |
7.87219 | 0.361726 | standard |
7.8818 | 0.334491 | standard |
7.88226 | 0.334425 | standard |
6.17196 | 0.520104 | standard |
6.18148 | 0.520104 | standard |
6.74879 | 0.70083 | standard |
6.74906 | 0.70083 | standard |
6.98732 | 1.01585 | standard |
7.87212 | 0.354274 | standard |
7.87241 | 0.354317 | standard |
7.88164 | 0.354317 | standard |
7.88193 | 0.354274 | standard |
6.17236 | 0.524 | standard |
6.18099 | 0.524 | standard |
6.74876 | 0.680675 | standard |
6.7491 | 0.680675 | standard |
6.98732 | 1.01838 | standard |
7.87265 | 0.379538 | standard |
7.87277 | 0.379557 | standard |
7.88121 | 0.34198 | standard |
7.88157 | 0.341922 | standard |
6.17305 | 0.532655 | standard |
6.18039 | 0.532655 | standard |
6.749 | 0.760311 | standard |
6.98732 | 1.02348 | standard |
7.87328 | 0.354356 | standard |
7.87352 | 0.354404 | standard |
7.88069 | 0.409382 | standard |